BindingDB PrimarySearch

BDBM50067906 (3-aminophenyl)boronic acid, 1::3-aminophenyl boronic acid::3-aminophenylboronic acid::Aza-boronic acid derivative::Boronic acid derivative::CHEMBL20852::M-AMINOPHENYLBORONIC ACID

SMILES: Nc1cccc(c1)B(O)O

InChI Key: InChIKey=JMZFEHDNIAQMNB-UHFFFAOYSA-N

Data: 8 KI 1 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50067906
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-lactamase AmpC (Escherichia coli)	BDBM50067906 ((3-aminophenyl)boronic acid, 1 \| 3-aminophenyl bor...) Show SMILES Nc1cccc(c1)B(O)O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
Northwestern University					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50067906 ((3-aminophenyl)boronic acid, 1 \| 3-aminophenyl bor...) Show SMILES Nc1cccc(c1)B(O)O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Apparent inhibition constant against Escherichia coli AmpC beta-lactamase				Bioorg Med Chem Lett 14: 3979-83 (2004) Article DOI: 10.1016/j.bmcl.2004.05.054 BindingDB Entry DOI: 10.7270/Q2XW4J8P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50067906 ((3-aminophenyl)boronic acid, 1 \| 3-aminophenyl bor...) Show SMILES Nc1cccc(c1)B(O)O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
Northwestern University Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Subtilisin (Bacillus lentus)	BDBM50067906 ((3-aminophenyl)boronic acid, 1 \| 3-aminophenyl bor...) Show SMILES Nc1cccc(c1)B(O)O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin BL M222C-mutated enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Subtilisin (Bacillus licheniformis)	BDBM50067906 ((3-aminophenyl)boronic acid, 1 \| 3-aminophenyl bor...) Show SMILES Nc1cccc(c1)B(O)O Show InChI	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Subtilisin (Bacillus lentus)	BDBM50067906 ((3-aminophenyl)boronic acid, 1 \| 3-aminophenyl bor...) Show SMILES Nc1cccc(c1)B(O)O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin BL wild type enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Subtilisin (Bacillus lentus)	BDBM50067906 ((3-aminophenyl)boronic acid, 1 \| 3-aminophenyl bor...) Show SMILES Nc1cccc(c1)B(O)O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article	2.04E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin BL M222C-mutated enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50067906 ((3-aminophenyl)boronic acid, 1 \| 3-aminophenyl bor...) Show SMILES Nc1cccc(c1)B(O)O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article	3.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50067906 ((3-aminophenyl)boronic acid, 1 \| 3-aminophenyl bor...) Show SMILES Nc1cccc(c1)B(O)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal 6-His-tagged ATXbeta using FS-3 as substrate preincubated for 20 mins followed by substrate addition by fl...				J Med Chem 60: 5209-5215 (2017) Article DOI: 10.1021/acs.jmedchem.6b01224 BindingDB Entry DOI: 10.7270/Q2319ZCT
Takeda California, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair